6AFH
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![BU of 6afh by Molmil](/molmil-images/mine/6afh) | DJ-1 with compound 10 | 分子名称: | 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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5UA8
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![BU of 5ua8 by Molmil](/molmil-images/mine/5ua8) | Ocellatin-F1, solution structure in SDS micelle by NMR spectroscopy | 分子名称: | Ocellatin-F1 | 著者 | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | 登録日 | 2016-12-19 | 公開日 | 2017-03-29 | 最終更新日 | 2018-04-18 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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6ALB
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![BU of 6alb by Molmil](/molmil-images/mine/6alb) | CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CREB-binding protein, ... | 著者 | Murray, J.M. | 登録日 | 2017-08-07 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | 主引用文献 | Design and Synthesis of A Biaryl Series As Inhibitors for the Bromodomains of CBP/P300 To be published
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6AFA
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6AFO
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6ALC
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![BU of 6alc by Molmil](/molmil-images/mine/6alc) | CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | 分子名称: | 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ... | 著者 | Murray, J.M. | 登録日 | 2017-08-07 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.391 Å) | 主引用文献 | Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300. Bioorg. Med. Chem. Lett., 28, 2018
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6CY0
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![BU of 6cy0 by Molmil](/molmil-images/mine/6cy0) | RNA octamer containing 2'-F, 4'-Cbeta-OMe U. | 分子名称: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UFB)P*UP*CP*G)-3') | 著者 | Harp, J.M, Egli, M. | 登録日 | 2018-04-04 | 公開日 | 2018-08-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | 主引用文献 | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
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6AFE
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![BU of 6afe by Molmil](/molmil-images/mine/6afe) | DJ-1 with compound 7 | 分子名称: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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5UUK
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6AF9
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6AFN
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![BU of 6afn by Molmil](/molmil-images/mine/6afn) | Crystal structure of class A b-lactamase, PenL, variant Cys69Tyr, from Burkholderia thailandensis, in complex with ceftazidime-like boronic acid | 分子名称: | Beta-lactamase, GLYCEROL, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | 著者 | Cao, T.-P, Choi, J.M, Lee, S.H. | 登録日 | 2018-08-08 | 公開日 | 2020-01-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Non-catalytic-Region Mutations Conferring Transition of Class A beta-Lactamases Into ESBLs. Front Mol Biosci, 2020
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5UJK
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6AFF
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![BU of 6aff by Molmil](/molmil-images/mine/6aff) | DJ-1 with compound 8 | 分子名称: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6DHF
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![BU of 6dhf by Molmil](/molmil-images/mine/6dhf) | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6AFJ
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![BU of 6afj by Molmil](/molmil-images/mine/6afj) | DJ-1 with compound 13 | 分子名称: | CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | 著者 | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | 登録日 | 2018-08-08 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6DHE
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![BU of 6dhe by Molmil](/molmil-images/mine/6dhe) | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | 分子名称: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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6DK7
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![BU of 6dk7 by Molmil](/molmil-images/mine/6dk7) | RetS histidine kinase region with cobalt | 分子名称: | COBALT (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion) | 著者 | Mancl, J.M, Schubot, F.D. | 登録日 | 2018-05-29 | 公開日 | 2019-03-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa. Structure, 27, 2019
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5UUM
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![BU of 5uum by Molmil](/molmil-images/mine/5uum) | Human Mcl-1 in complex with a Bfl-1-specific selected peptide | 分子名称: | Bfl-1 specific peptide FS2, Induced myeloid leukemia cell differentiation protein Mcl-1, SULFATE ION, ... | 著者 | Jenson, J.M, Grant, R.A, Keating, A.E. | 登録日 | 2017-02-17 | 公開日 | 2017-06-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | 主引用文献 | Epistatic mutations in PUMA BH3 drive an alternate binding mode to potently and selectively inhibit anti-apoptotic Bfl-1. Elife, 6, 2017
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6B89
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![BU of 6b89 by Molmil](/molmil-images/mine/6b89) | E. coli LptB in complex with ADP and novobiocin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ... | 著者 | May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K. | 登録日 | 2017-10-05 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
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5V33
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![BU of 5v33 by Molmil](/molmil-images/mine/5v33) | R. sphaeroides photosythetic reaction center mutant - Residue L223, Ser to Trp - Room Temperature Structure Solved on X-ray Transparent Microfluidic Chip | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | 著者 | Schieferstein, J.M, Pawate, A.S, Sun, C, Wan, F, Broecker, J, Ernst, O.P, Gennis, R.B, Kenis, P.J.A. | 登録日 | 2017-03-06 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.487 Å) | 主引用文献 | X-ray transparent microfluidic chips for high-throughput screening and optimization of in meso membrane protein crystallization. Biomicrofluidics, 11, 2017
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6DK8
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![BU of 6dk8 by Molmil](/molmil-images/mine/6dk8) | RetS kinase region without cobalt | 分子名称: | NICKEL (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion) | 著者 | Mancl, J.M, Schubot, F.D. | 登録日 | 2018-05-29 | 公開日 | 2019-03-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa. Structure, 27, 2019
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5VWV
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![BU of 5vwv by Molmil](/molmil-images/mine/5vwv) | Bak core latch dimer in complex with Bim-BH3 - Cubic | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX2
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![BU of 5vx2 by Molmil](/molmil-images/mine/5vx2) | Mcl-1 in complex with Bim-h3Pc-RT | 分子名称: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | 著者 | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | 登録日 | 2017-05-23 | 公開日 | 2017-11-15 | 最終更新日 | 2020-01-08 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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6E1J
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6E1Q
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![BU of 6e1q by Molmil](/molmil-images/mine/6e1q) | AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB | 分子名称: | (2,4-DICHLOROPHENOXY)ACETIC ACID, AtGH3.15 acyl acid amido synthetase, PHOSPHATE ION | 著者 | Sharp, A.M, Lee, S.G, Jez, J.M. | 登録日 | 2018-07-10 | 公開日 | 2018-10-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.148 Å) | 主引用文献 | Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis. J. Biol. Chem., 293, 2018
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